N-[2-[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]ethyl]-2-(oxetan-2-yl)acetamide

C20H20N6O2S — CID 157023032

IUPACN-[2-[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]ethyl]-2-(oxetan-2-yl)acetamide
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2sc(CCNC(=O)CC3CCO3)nc12
InChIInChI=1S/C20H20N6O2S/c21-20-18-19(13-2-1-11(9-15(13)24-20)14-3-7-23-26-14)29-17(25-18)4-6-22-16(27)10-12-5-8-28-12/h1-3,7,9,12H,4-6,8,10H2,(H2,21,24)(H,22,27)(H,23,26)
InChIKeyMJBPWAXKGZFELG-UHFFFAOYSA-N
MW408.49 g/mol
LogP2.65
Rot. Bonds6

About N-[2-[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]ethyl]-2-(oxetan-2-yl)acetamide

N-[2-[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]ethyl]-2-(oxetan-2-yl)acetamide (PubChem CID 157023032) has the molecular formula C20H20N6O2S and a molecular weight of 408.49 g/mol. Its IUPAC name is N-[2-[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]ethyl]-2-(oxetan-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]ethyl]-2-(oxetan-2-yl)acetamide
PubChem CID157023032
Molecular FormulaC20H20N6O2S
Molecular Weight408.49 g/mol
Exact Mass408.14
IUPAC NameN-[2-[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]ethyl]-2-(oxetan-2-yl)acetamide
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2sc(CCNC(=O)CC3CCO3)nc12
InChIInChI=1S/C20H20N6O2S/c21-20-18-19(13-2-1-11(9-15(13)24-20)14-3-7-23-26-14)29-17(25-18)4-6-22-16(27)10-12-5-8-28-12/h1-3,7,9,12H,4-6,8,10H2,(H2,21,24)(H,22,27)(H,23,26)
InChIKeyMJBPWAXKGZFELG-UHFFFAOYSA-N
XLogP2.65
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]ethyl]-2-(oxetan-2-yl)acetamide?
The IUPAC name of N-[2-[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]ethyl]-2-(oxetan-2-yl)acetamide (CID 157023032) is N-[2-[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]ethyl]-2-(oxetan-2-yl)acetamide.
What is the SMILES notation for N-[2-[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]ethyl]-2-(oxetan-2-yl)acetamide?
The canonical SMILES for N-[2-[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]ethyl]-2-(oxetan-2-yl)acetamide is Nc1nc2cc(-c3ccn[nH]3)ccc2c2sc(CCNC(=O)CC3CCO3)nc12.
What is the InChIKey of N-[2-[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]ethyl]-2-(oxetan-2-yl)acetamide?
The InChIKey is MJBPWAXKGZFELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2S/c21-20-18-19(13-2-1-11(9-15(13)24-20)14-3-7-23-26-14)29-17(25-18)4-6-22-16(27)10-12-5-8-28-12/h1-3,7,9,12H,4-6,8,10H2,(H2,21,24)(H,22,27)(H,23,26).
What are the key properties of N-[2-[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]ethyl]-2-(oxetan-2-yl)acetamide?
N-[2-[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]ethyl]-2-(oxetan-2-yl)acetamide has a molecular weight of 408.49 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]ethyl]-2-(oxetan-2-yl)acetamide is sourced from PubChem (CID 157023032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).